Results 161 to 170 of about 37,717 (312)

Energy additivity as a requirement for universal quantum thermodynamical frameworks. [PDF]

Sci Rep
Neves LR, Brito F.
europepmc   +1 more source

Machine Learning for Accelerating Energy Materials Discovery: Bridging Quantum Accuracy with Computational Efficiency

Advanced Energy Materials, EarlyView.
This perspective highlights how machine learning accelerates sustainable energy materials discovery by integrating quantum‐accurate interatomic potentials with property prediction frameworks. The evolution from statistical methods to physics‐informed neural networks is examined, showcasing applications across batteries, catalysts, and photovoltaics ...
Kwang S. Kim
wiley   +1 more source

Energy spectrum and quantum phase transition of the coupled single spin and an infinitely coordinated Ising chain. [PDF]

Beilstein J Nanotechnol
Seidov S, Pugach N, Sidorenko A.
europepmc   +1 more source

Normal forms for skew-symmetric matrices and Hamiltonian systems with first integrals linear in momenta

, 1988
Gerard Thompson
openalex   +1 more source

Spin Matters: A Multidisciplinary Roadmap to Understanding Spin Effects in Oxygen Evolution Reaction During Water Electrolysis

Advanced Energy Materials, EarlyView.
This roadmap offers a forward‐looking perspective on spin enhancement in the oxygen evolution reaction. It highlights how combining systematic experiments, advanced computational modeling, and novel magnetic, chiral, or hybrid materials can deepen the understanding of spin‐dependent catalytic mechanisms.
Emma van der Minne, Priscila Vensaus, Vadim Ratovskii, Seenivasan Hariharan, Jan Behrends, Cesare Franchini, Jonas Fransson, Sarnjeet S. Dhesi, Felix Gunkel, Florian Gossing, Georgios Katsoukis, Ulrike I. Kramm, Magalí Lingenfelder, Qianqian Lan, Yury V. Kolen'ko, Yang Li, Ramsundar Rani Mohan, Jeffrey McCord, Lingmei Ni, Eva Pavarini, Rossitza Pentcheva, David H. Waldeck, Michael Verhage, Anke Yu, Zhichuan J. Xu, Piero Torelli, Silvia Mauri, Narcis Avarvari, Anja Bieberle‐Hütter, Christoph Baeumer   +29 more
wiley   +1 more source

Quantum Statistical Mechanics of Electronically Open Molecules: Reduced Density Operators. [PDF]

J Chem Theory Comput
Pedersen J, Sannes BS, Høyvik IM.
europepmc   +1 more source

Metal‐Organic Open‐Framework Molecular Magnet Based on Vanadium Hexacyanoferrate Prussian Blue Analogs as Cathode Material for Advanced Potassium Ion Aqueous Battery

Advanced Energy and Sustainability Research, EarlyView.
An aqueous potassium‐ion battery using vanadium hexacyanoferrate (VHCF) as the cathode and graphite as the anode is presented. During charge/discharge, K+ ions shuttle between electrodes through the electrolyte, enabling energy storage. The VHCF material demonstrates high capacity (≈121 mAh g−1), fast kinetics, and eco‐friendliness, making it a ...
Nilasha Maiti, Pramod Bhatt, Mayuresh D. Mukadam, Manoj K. Sharma, Sher Singh Meena, Himal Bhatt, Katsuya Inoue, Kenya Shimada, Masahiro Sawada, Frank M. F. de Groot, Seikh Mohammad Yusuf   +10 more
wiley   +1 more source

Efficient quantum thermal simulation. [PDF]

Nature
Chen CF, Kastoryano M, Brandão FGSL, Gilyén A.   +3 more
europepmc   +1 more source

Periodic Solutions on a Convex Energy Surface of a Hamiltonian System II

, 1986
Kiyoshi Hayashi
openalex   +1 more source

Nonlinear interaction of positive and negative energy modes in Hamiltonian systems [PDF]

, 1990
James P. Denier, Roger Grimshaw
openalex   +1 more source